1-(2-anilinoethyl)indole-5-carbonitrile

C17H15N3 — CID 107920038

IUPAC1-(2-anilinoethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CCNc2ccccc2)c1
InChIInChI=1S/C17H15N3/c18-13-14-6-7-17-15(12-14)8-10-20(17)11-9-19-16-4-2-1-3-5-16/h1-8,10,12,19H,9,11H2
InChIKeyXCOOCUNMFCUHKP-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.63
Rot. Bonds4

About 1-(2-anilinoethyl)indole-5-carbonitrile

1-(2-anilinoethyl)indole-5-carbonitrile (PubChem CID 107920038) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-(2-anilinoethyl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(2-anilinoethyl)indole-5-carbonitrile
PubChem CID107920038
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-(2-anilinoethyl)indole-5-carbonitrile
SMILESN#Cc1ccc2c(ccn2CCNc2ccccc2)c1
InChIInChI=1S/C17H15N3/c18-13-14-6-7-17-15(12-14)8-10-20(17)11-9-19-16-4-2-1-3-5-16/h1-8,10,12,19H,9,11H2
InChIKeyXCOOCUNMFCUHKP-UHFFFAOYSA-N
XLogP3.63
TPSA40.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-anilinoethyl)indole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3-bromoanilino)ethyl]indole-6-carbonitrile
CID 107916920
1-(3-hydroxy-3-methylbutyl)indole-5-carbonitrile
CID 114015947
1-[2-(pyridin-3-ylmethylamino)ethyl]indole-5-carbonitrile
CID 107920082
1-(2-methylsulfonylethyl)indole-5-carbonitrile
CID 114015955
1-(3-oxobutyl)indole-5-carbonitrile
CID 107919976
1-(2-tert-butylsulfonylethyl)indole-5-carbonitrile
CID 107920167
1-(2-propan-2-ylsulfanylethyl)indole-5-carbonitrile
CID 114268853
1-[3-(cyclohexylamino)propyl]indole-5-carbonitrile
CID 107920048
3-[2-(2-oxo-1-pyridinyl)ethylamino]benzonitrile
CID 82897372
1-(4-oxopentyl)indole-5-carbonitrile
CID 107919956
1-[(2,6-dichlorophenyl)methyl]indole-5-carbonitrile
CID 91690059
1-[2-(2-methylpropoxy)ethyl]indole-5-carbonitrile
CID 107920442

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinoethyl)indole-5-carbonitrile?
The IUPAC name of 1-(2-anilinoethyl)indole-5-carbonitrile (CID 107920038) is 1-(2-anilinoethyl)indole-5-carbonitrile.
What is the SMILES notation for 1-(2-anilinoethyl)indole-5-carbonitrile?
The canonical SMILES for 1-(2-anilinoethyl)indole-5-carbonitrile is N#Cc1ccc2c(ccn2CCNc2ccccc2)c1.
What is the InChIKey of 1-(2-anilinoethyl)indole-5-carbonitrile?
The InChIKey is XCOOCUNMFCUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c18-13-14-6-7-17-15(12-14)8-10-20(17)11-9-19-16-4-2-1-3-5-16/h1-8,10,12,19H,9,11H2.
What are the key properties of 1-(2-anilinoethyl)indole-5-carbonitrile?
1-(2-anilinoethyl)indole-5-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinoethyl)indole-5-carbonitrile is sourced from PubChem (CID 107920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).